CID 69538

Cyclohexene, 1-methylnonafluoro-

Structural Information

Molecular Formula
C7H3F9
SMILES
CC1=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H3F9/c1-2-3(8)5(11,12)7(15,16)6(13,14)4(2,9)10/h1H3
InChIKey
YFJWYKLLZFEYFL-UHFFFAOYSA-N
Compound name
1,3,3,4,4,5,5,6,6-nonafluoro-2-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.0091 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01638 131.4
[M+Na]+ 280.99832 146.4
[M-H]- 257.00182 126.3
[M+NH4]+ 276.04292 156.4
[M+K]+ 296.97226 143.1
[M+H-H2O]+ 241.00636 123.0
[M+HCOO]- 303.00730 144.1
[M+CH3COO]- 317.02295 197.3
[M+Na-2H]- 278.98377 135.5
[M]+ 258.00855 120.2
[M]- 258.00965 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe